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Chemical structure of T-1101 tosylate

GC61311

T-1101 tosylate

Also known as N-[4-[4-[5-(2-methoxyethoxy)pyrazin-2-yl]sulfanyl-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;4-methylbenzenesulfonic acid

T-1101 tosylate (TAI-95 tosylate) is a Hec1/Nek2 (Highly expressed in cancer 1 / NIMA-related kinase 2) inhibitor with antitumor activity· T-1101 tosylate is inactive toward normal cells, kinases and hERG

ChemicalCAS2250404-95-4MW665.8FormulaC31H31N5O6S3
CAS number
2250404-95-4
Molecular weight
665.8
Formula
C31H31N5O6S3
Solubility
DMSO: 62·5 mg/mL (93·87 mM)
InChIKey
OUJWEAVKLYQREM-UHFFFAOYSA-N
Catalogue number
GC61311
Brand
GLPBIO
Computed properties PubChem CID 71586372 · TPSA 215 Ų · H-bond donors 2 · H-bond acceptors 12
TPSA
215 Ų
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
10
Heavy atoms
45

SMILES CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=CC(=C1C2=CSC(=N2)NC(=O)C3=CC=NC=C3)C)SC4=NC=C(N=C4)OCCOC

Computed descriptors from PubChem (CID 71586372), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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